N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine

C16H24FNO — CID 80683647

IUPACN-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)C1(C)CCCCO1
InChIInChI=1S/C16H24FNO/c1-3-18-15(16(2)10-4-5-11-19-16)12-13-6-8-14(17)9-7-13/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyJMPKNAYMRVLNKL-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.31
Rot. Bonds5

About N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine

N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 80683647) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
PubChem CID80683647
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)C1(C)CCCCO1
InChIInChI=1S/C16H24FNO/c1-3-18-15(16(2)10-4-5-11-19-16)12-13-6-8-14(17)9-7-13/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyJMPKNAYMRVLNKL-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 80684942
N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 80685111
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 112653884
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685504
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683477
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685372
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine (CID 80683647) is N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine is CCNC(Cc1ccc(F)cc1)C1(C)CCCCO1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is JMPKNAYMRVLNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-18-15(16(2)10-4-5-11-19-16)12-13-6-8-14(17)9-7-13/h6-9,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine?
N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 80683647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).